2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride

C53H36Cl6FN11O8S — CID 159674906

IUPAC2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride
SMILESO=C(Cl)c1ccc2nc(Cl)cnc2c1.O=C(Cl)c1ccc2ncc(Cl)nc2c1.O=C(Nc1cccc(F)c1)Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1.O=C(O)c1ccc2nccnc2c1.O=S(Cl)Cl
InChIInChI=1S/C26H22FN5O3.2C9H4Cl2N2O.C9H6N2O2.Cl2OS/c27-19-4-2-6-21(15-19)30-26(34)29-20-5-1-3-17(13-20)25(33)18-7-8-22-23(14-18)31-24(16-28-22)32-9-11-35-12-10-32;10-8-4-12-7-3-5(9(11)14)1-2-6(7)13-8;10-8-4-12-6-2-1-5(9(11)14)3-7(6)13-8;12-9(13)6-1-2-7-8(5-6)11-4-3-10-7;1-4(2)3/h1-8,13-16H,9-12H2,(H2,29,30,34);2*1-4H;1-5H,(H,12,13);
InChIKeyMULZFPLIXNCVNZ-UHFFFAOYSA-N
MW1218.72 g/mol
LogP12.18
Rot. Bonds8

About 2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride

2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride (PubChem CID 159674906) has the molecular formula C53H36Cl6FN11O8S and a molecular weight of 1218.72 g/mol. Its IUPAC name is 2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride.

Molecular Properties

Compound Name2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride
PubChem CID159674906
Molecular FormulaC53H36Cl6FN11O8S
Molecular Weight1218.72 g/mol
Exact Mass1215.06
IUPAC Name2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride
SMILESO=C(Cl)c1ccc2nc(Cl)cnc2c1.O=C(Cl)c1ccc2ncc(Cl)nc2c1.O=C(Nc1cccc(F)c1)Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1.O=C(O)c1ccc2nccnc2c1.O=S(Cl)Cl
InChIInChI=1S/C26H22FN5O3.2C9H4Cl2N2O.C9H6N2O2.Cl2OS/c27-19-4-2-6-21(15-19)30-26(34)29-20-5-1-3-17(13-20)25(33)18-7-8-22-23(14-18)31-24(16-28-22)32-9-11-35-12-10-32;10-8-4-12-7-3-5(9(11)14)1-2-6(7)13-8;10-8-4-12-6-2-1-5(9(11)14)3-7(6)13-8;12-9(13)6-1-2-7-8(5-6)11-4-3-10-7;1-4(2)3/h1-8,13-16H,9-12H2,(H2,29,30,34);2*1-4H;1-5H,(H,12,13);
InChIKeyMULZFPLIXNCVNZ-UHFFFAOYSA-N
XLogP12.18
TPSA262.30 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001218.72
LogP ≤ 512.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride with MolForge

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Launch Full Analysis

Related Compounds

(2-Piperazin-1-yl-4-pyridinyl)methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate
CID 123809027
(3-amino-2,5,6-trifluorophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;3-(trifluoromethyl)benzoyl chloride;bis(3-(trifluoromethyl)-N-[2,4,5-trifluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide)
CID 157362373
(3-amino-2,5,6-trifluorophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;3-(trifluoromethyl)benzoyl chloride;3-(trifluoromethyl)-N-[2,4,5-trifluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 159642089
Bis(3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylic acid);methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine
CID 160059326
Dipotassium;sodium;deuterio(fluoro)methane;3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid;3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)quinoxaline-6-carboxylic acid;hydride;methanol;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylate;oxido formate;1-pyridin-2-ylpiperazine;hydroxide
CID 157060321
Dipotassium;sodium;deuterio(fluoro)methane;bis(3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid);hydride;methanol;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylate;oxido formate;1-pyridin-2-ylpiperazine;hydroxide
CID 157161601
Methyl 8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 157398565
8-[1-(3,5-Difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid
CID 157568889
(3-amino-2,5,6-trifluorophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;2,2-dimethyl-N-[2,4,5-trifluoro-3-[hydroxy-(3-morpholin-4-ylquinoxalin-6-yl)methyl]phenyl]propanamide
CID 157791062
2-Chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;methane;quinoxaline-6-carboxylic acid
CID 157792648
Sodium;butyl 2-(4-fluorophenyl)-3-piperidin-1-ylquinoxaline-6-carboxylate;cyclohexane;2-(4-fluorophenyl)-3-piperidin-1-ylquinoxaline-6-carboxylic acid;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;hydroxide
CID 157802201
2-chloro-3-(3-methoxyphenyl)-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;2-chloro-3-(3-methoxyphenyl)quinoxaline-6-carbonyl chloride;3-(3-methoxyphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;4-piperidin-4-ylmorpholine;2-pyridin-3-ylethanamine
CID 157883929

Frequently Asked Questions

What is the IUPAC name of 2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride?
The IUPAC name of 2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride (CID 159674906) is 2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride.
What is the SMILES notation for 2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride?
The canonical SMILES for 2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride is O=C(Cl)c1ccc2nc(Cl)cnc2c1.O=C(Cl)c1ccc2ncc(Cl)nc2c1.O=C(Nc1cccc(F)c1)Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1.O=C(O)c1ccc2nccnc2c1.O=S(Cl)Cl.
What is the InChIKey of 2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride?
The InChIKey is MULZFPLIXNCVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3.2C9H4Cl2N2O.C9H6N2O2.Cl2OS/c27-19-4-2-6-21(15-19)30-26(34)29-20-5-1-3-17(13-20)25(33)18-7-8-22-23(14-18)31-24(16-28-22)32-9-11-35-12-10-32;10-8-4-12-7-3-5(9(11)14)1-2-6(7)13-8;10-8-4-12-6-2-1-5(9(11)14)3-7(6)13-8;12-9(13)6-1-2-7-8(5-6)11-4-3-10-7;1-4(2)3/h1-8,13-16H,9-12H2,(H2,29,30,34);2*1-4H;1-5H,(H,12,13);.
What are the key properties of 2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride?
2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride has a molecular weight of 1218.72 g/mol, XLogP of 12.18, 8 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea;quinoxaline-6-carboxylic acid;thionyl dichloride is sourced from PubChem (CID 159674906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).